Acetyl-wmewdreaeelakkaeelakkaeelakkaeesakk-nh2

Structural Information

Molecular Formula

C₁₈₂H₂₉₅N₄₉O₅₉S

SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C

InChI

InChI=1S/C182H295N49O59S/c1-91(2)82-129(175(284)201-98(11)148(257)208-114(47-26-34-77-188)161(270)215-110(43-22-30-73-184)156(265)197-94(7)152(261)211-120(53-63-138(238)239)166(275)221-124(57-67-142(246)247)170(279)227-130(83-92(3)4)176(285)202-99(12)149(258)210-116(49-28-36-79-190)163(272)217-112(45-24-32-75-186)158(267)199-96(9)154(263)213-122(55-65-140(242)243)168(277)223-127(60-70-145(252)253)173(282)231-135(90-232)181(290)204-101(14)151(260)207-113(46-25-33-76-187)160(269)206-109(147(191)256)42-21-29-72-183)226-169(278)123(56-66-141(244)245)220-165(274)119(52-62-137(236)237)212-153(262)95(8)198-157(266)111(44-23-31-74-185)216-162(271)115(48-27-35-78-189)209-150(259)100(13)203-177(286)131(84-93(5)6)228-171(280)125(58-68-143(248)249)222-167(276)121(54-64-139(240)241)214-155(264)97(10)200-159(268)118(51-61-136(234)235)219-164(273)117(50-37-80-194-182(192)193)218-180(289)134(87-146(254)255)230-179(288)133(86-104-89-196-108-41-20-18-39-106(104)108)229-172(281)126(59-69-144(250)251)224-174(283)128(71-81-291-16)225-178(287)132(205-102(15)233)85-103-88-195-107-40-19-17-38-105(103)107/h17-20,38-41,88-89,91-101,109-135,195-196,232H,21-37,42-87,90,183-190H2,1-16H3,(H2,191,256)(H,197,265)(H,198,266)(H,199,267)(H,200,268)(H,201,284)(H,202,285)(H,203,286)(H,204,290)(H,205,233)(H,206,269)(H,207,260)(H,208,257)(H,209,259)(H,210,258)(H,211,261)(H,212,262)(H,213,263)(H,214,264)(H,215,270)(H,216,271)(H,217,272)(H,218,289)(H,219,273)(H,220,274)(H,221,275)(H,222,276)(H,223,277)(H,224,283)(H,225,287)(H,226,278)(H,227,279)(H,228,280)(H,229,281)(H,230,288)(H,231,282)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,192,193,194)/t94-,95-,96-,97-,98-,99-,100-,101-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-/m0/s1

InChIKey

FGCBOZBVEYNQBN-VPIJZODHSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 86574043